# Simple gWidgetsWWW2 GUI for mkin
# Set the GUI title and create the parent frame {{{1
require("mkin")
GUI_title <- "Simple Browser based GUI for kinetic evaluations using mkin"
w <- gwindow(GUI_title)
sb <- gstatusbar("Powered by gWidgetsWWW2 and Rook", cont = w)
g <- gframe(GUI_title, cont = w, use.scrollwindow = TRUE, horizontal = FALSE)
# Set default values for project data objects {{{1
project_file <- "mkin_project_1.RData"
# Observed variables {{{2
observed.df = data.frame(Name = c("parent", "m1"),
"Chemical Name" = "NA",
stringsAsFactors = FALSE)
# Studies {{{2
studies.df <- data.frame(Index = as.integer(1),
Author = "FOCUS kinetics workgroup",
Year = "2006",
Title = "FOCUS Kinetics",
stringsAsFactors = FALSE)
# Datasets {{{2
ds <- list()
# FOCUS 2006 datasets {{{3
for (i in 1:5) {
ds.letter = LETTERS[i]
ds.index <- as.character(i)
ds.name = paste0("FOCUS_2006_", ds.letter)
ds[[ds.index]] <- list(
study_nr = 1,
title = paste("FOCUS example dataset", ds.letter),
sampling_times = unique(get(ds.name)$time),
time_unit = "NA",
observed = as.character(unique(get(ds.name)$name)),
unit = "% AR",
replicates = 1,
data = get(ds.name)
)
ds[[ds.index]]$data$override = "NA"
ds[[ds.index]]$data$weight = 1
}
# Dataframe with datasets for selection with the gtable widget {{{2
update_ds.df <- function() { # {{{3
ds.n <- length(ds)
ds.df <<- data.frame(Index = 1:ds.n,
Study = character(ds.n),
Title = character(ds.n),
stringsAsFactors = FALSE)
for (i in 1:ds.n)
{
ds.index <- names(ds)[[i]]
ds.df[i, "Study"] <<- ds[[ds.index]]$study_nr
ds.df[i, "Title"] <<- ds[[ds.index]]$title
}
}
ds.df <- data.frame()
update_ds.df()
# Set the initial dataset number globally
ds.cur = "1"
# Project data management {{{1
upload_file_handler <- function(h, ...) # {{{2
{
tmpfile <- normalizePath(svalue(h$obj), winslash = "/")
try(load(tmpfile))
project_file <<- pr.gf$filename
svalue(wf.ge) <- project_file
observed.gdf[,] <- observed.df
studies.gdf[,] <- studies.df
ds.cur <<- "1"
ds <<- ds
update_ds.df()
ds.gtable[,] <- ds.df
update_ds_editor()
}
save_to_file_handler <- function(h, ...) # {{{2
{
observed.df <- data.frame(observed.gdf[,], stringsAsFactors = FALSE)
studies.df <- data.frame(studies.gdf[,], stringsAsFactors = FALSE)
save(observed.df, studies.df, ds, file = project_file)
galert(paste("Saved project contents to", project_file), parent = w)
}
# Add widgets for project file management to an expandable group {{{1
prg <- gexpandgroup("Project file management", cont = g)
pr.vg <- ggroup(cont = prg, horizontal = FALSE)
pr.hg <- ggroup(cont = pr.vg, horizontal = TRUE)
pr.gf <- gfile(text = "Select project file", cont = pr.hg,
handler = upload_file_handler)
pr.vg2 <- ggroup(cont = pr.hg, horizontal = FALSE)
pr.hg2 <- ggroup(cont = pr.vg2, horizontal = TRUE)
glabel("Current project file name is", cont = pr.hg2)
change_project_file_handler = function(h, ...) {
project_file <<- as.character(svalue(h$obj))
}
wf.ge <- gedit(project_file, cont = pr.hg2,
handler = change_project_file_handler)
gbutton("Save current project contents to this file", cont = pr.vg2,
handler = save_to_file_handler)
# Expandable group for observed variables {{{1
ovg <- gexpandgroup("Observed variables", cont = g)
observed.gdf <- gdf(observed.df, name = "Names of observed variables",
width = 500, height = 250, cont = ovg)
# Expandable group for studies {{{1
stg <- gexpandgroup("Studies", cont = g)
studies.gdf <- gdf(studies.df, name = "Studies in the project",
width = 500, height = 200, cont = stg)
studies.gdf$set_column_width(1, 40)
studies.gdf$set_column_width(2, 200)
# Expandable group for datasets {{{1
dsg <- gexpandgroup("Dataset selector", cont = g, horizontal = FALSE)
# Dataset table with handler {{{2
ds.switcher <- function(h, ...) {
ds.cur <<- as.character(svalue(h$obj))
update_ds_editor()
}
ds.gtable <- gtable(ds.df, cont = dsg)
addHandlerClicked(ds.gtable, ds.switcher)
size(ds.gtable) <- list(columnWidths = c(40, 40, 200))
# Dataset editor {{{2
# Handler functions {{{3
save_dataset_changes_handler <- function(h, ...) {
ds[[ds.cur]]$title <<- svalue(ds.title.ge)
ds[[ds.cur]]$study_nr <<- as.numeric(gsub("Study ", "", svalue(ds.study.gc)))
ds[[ds.cur]]$data <<- ds.e.gdf[,]
update_ds.df()
ds.gtable[,] <- ds.df
}
delete_dataset_handler <- function(h, ...) {
ds[[ds.cur]] <<- NULL
names(ds) <<- as.character(1:length(ds))
ds.cur <<- names(ds)[[1]]
update_ds.df()
ds.gtable[,] <- ds.df
update_ds_editor()
}
new_dataset_handler <- function(h, ...) {
ds.cur <<- as.character(1 + length(ds))
ds[[ds.cur]] <<- list(
study_nr = 1,
title = "",
sampling_times = c(0, 1),
time_unit = "NA",
observed = 1,
unit = "NA",
replicates = 1,
data = data.frame(
name = observed.df[1, "Name"],
time = c(0, 1),
value = c(100, NA),
override = "NA",
weight = 1
)
)
update_ds.df()
ds.gtable[,] <- ds.df
update_ds_editor()
}
empty_grid_handler <- function(h, ...) {
new.data = data.frame(
name = rep("parent",
each = ds[[ds.cur]]$replicates * ds[[ds.cur]]$sampling_times),
time = c(0, 1),
value = NA,
override = "NA",
weight = 1
)
ds.e.gdf[,] <- new.data
}
# Widget setup {{{3
ds.editor <- gframe("Dataset 1", horizontal = FALSE, cont = dsg)
# Head {{{4
ds.e.head <- ggroup(cont = ds.editor, horizontal = FALSE)
ds.e.1 <- ggroup(cont = ds.e.head, horizontal = TRUE)
glabel("Title: ", cont = ds.e.1)
ds.title.ge <- gedit(ds[[ds.cur]]$title, cont = ds.e.1)
glabel(" from ", cont = ds.e.1)
ds.study.gc <- gcombobox(paste("Study", studies.gdf[,1]), cont = ds.e.1)
ds.e.save <- gbutton("Save changes", cont = ds.e.1,
handler = save_dataset_changes_handler)
ds.e.delete <- gbutton("Delete dataset", cont = ds.e.1,
handler = delete_dataset_handler)
ds.e.new <- gbutton("New dataset", cont = ds.e.1,
handler = new_dataset_handler)
ds.e.forms <- ggroup(cont= ds.editor, horizontal = TRUE)
ds.e.2a <- gvbox(cont = ds.e.forms)
ds.e.2a.gfl <- gformlayout(cont = ds.e.2a)
ds.e.st <- gedit(paste(ds[[ds.cur]]$sampling_times, collapse = ", "),
width = 50,
label = "Sampling times",
cont = ds.e.2a.gfl)
ds.e.stu <- gedit(ds[[ds.cur]]$time_unit,
width = 20,
label = "Unit", cont = ds.e.2a.gfl)
ds.e.2b <- gvbox(cont = ds.e.forms)
ds.e.2b.gfl <- gformlayout(cont = ds.e.2b)
ds.e.obs <- gedit(paste(ds[[ds.cur]]$observed, collapse = ", "),
width = 50,
label = "Observed", cont = ds.e.2b.gfl)
ds.e.2.obu <- gedit(ds[[ds.cur]]$unit,
width = 20, label = "Unit",
cont = ds.e.2b.gfl)
ds.e.data <- ggroup(cont = ds.editor, horizontal = FALSE)
ds.e.gdf <- gdf(ds[[ds.cur]]$data, name = "Kinetic data",
width = 700, height = 700, cont = ds.e.data)
ds.e.gdf$set_column_width(2, 70)
ds.e.gdf$set_column_width(3, 70)
ds.e.gdf$set_column_width(4, 50)
update_ds_editor <- function() {
svalue(ds.editor) <- paste("Dataset", ds.cur)
# Renew the first line
delete(ds.e.head, ds.e.1)
ds.e.1 <<- ggroup(cont = ds.e.head, horizontal = TRUE)
glabel("Title: ", cont = ds.e.1)
ds.title.ge <<- gedit(ds[[ds.cur]]$title, cont = ds.e.1)
glabel(" from ", cont = ds.e.1)
ds.study.gc <<- gcombobox(paste("Study", studies.gdf[,1]), cont = ds.e.1)
ds.e.save <- gbutton("Save changes", cont = ds.e.1,
handler = save_dataset_changes_handler)
ds.e.delete <- gbutton("Delete dataset", cont = ds.e.1,
handler = delete_dataset_handler)
ds.e.new <- gbutton("New dataset", cont = ds.e.1,
handler = new_dataset_handler)
svalue(ds.study.gc, index = TRUE) <- ds[[ds.cur]]$study_nr
# Renew the details
delete(ds.e.head, ds.e.2)
ds.e.2 <<- glayout(cont = ds.e.head)
ds.e.2[1, 1] <- glabel("Sampling times: ", cont = ds.e.2)
ds.e.2[1, 2] <- gedit(paste(ds[[ds.cur]]$sampling_times, collapse = ", "),
cont = ds.e.2)
ds.e.2[1, 3] <- glabel("Unit: ", cont = ds.e.2)
ds.e.2[1, 4] <- gedit(ds[[ds.cur]]$time_unit, width = 8, cont = ds.e.2)
ds.e.2[2, 1] <- glabel("Observed variables: ", cont = ds.e.2)
ds.e.2[2, 2] <- gedit(paste(ds[[ds.cur]]$observed, collapse = ", "),
cont = ds.e.2)
ds.e.2[2, 3] <- glabel("Unit: ", cont = ds.e.2)
ds.e.2[2, 4] <- gedit(ds[[ds.cur]]$unit, width = 8, cont = ds.e.2)
ds.e.2[3, 1] <- glabel("Replicates: ", cont = ds.e.2)
ds.e.2[3, 2] <- gedit(ds[[ds.cur]]$replicates, width = 2, cont = ds.e.2)
ds.e.2[3, 3:4] <- gbutton("Generate empty grid for kinetic data",
cont = ds.e.2,
handler = empty_grid_handler)
visible(ds.e.2) <- TRUE
ds.e.gdf[,] <- ds[[ds.cur]]$data
}
# 3}}}
# 2}}}
# 1}}}
# vim: set foldmethod=marker ts=2 sw=2 expandtab:
